![CAS 7221-63-8 Benzo[1,2-d :4,5-d’]bistriazole, 1,5-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/7221-63-8.png)
CAS RN: 7221-63-8
Benzo[1,2-d :4,5-d’]bistriazole, 1,5-dihydro-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-181761
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
7221-63-8 / 5,6-dihydrotriazolo[4,5-f]benzotriazole
Basic Information
CAS
7221-63-8
Multi CAS
Yes
Molecular Formula
C6H4N6
Molecular Weight
160.140000
Exact Mass
160.049744
InChI
InChI=1S/C6H4N6/c1-3-5(9-11-7-3)2-6-4(1)8-12-10-6/h1-2,7,11H
InChIKey
CQHFYDYTMUPITM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.34
TPSA
83.14
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
-0.5
Consensus LogP
-0.02
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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